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Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
58
Total Number of Articles : 192
|
| PubChem |
56330
|
| Molecular Formula |
C22H31N3O5 |
| SMILES |
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCCN3CCC[C@H](N3C2=O)C(=O)O |
| InChI |
InChI=1S/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)/t17-,18-,19-/m0/s1 |
| synonyms |
- cilazapril
- 88768-40-5
- Cilazapril anhydrous
- Inhibace
- Cilazaprilum
- Vascace
- Cilazapril (anhydrous)
- Dynorm
- Cilazapril hydrate
- Cilazapril [INN]
- Ro 34-2848
- Anhydrous cilazapril
- Cilazapril (INN)
- Ro 31-2848
- Inhibace (TN)
- 6H-Pyridazino(1,2-a)(1,2)diazepine-1-carboxylic acid, 9-(((1S)-1-(ethoxycarbonyl)-3-phenylpropyl)amino)octahydro-10-oxo-, (1S,9S)-
- DTXSID1048629
- Initiss
- NCGC00182039-01
- Cilazaprilum [Latin]
- Ro-312848006
- 8Q9454114Q
- Cilazil
- Inibace
- (1S,9S)-9-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-10-oxo-octahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid
- (4S,7S)-7-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid
- Vascase
- UNII-8Q9454114Q
- (1S,9S)-9-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic Acid; Ro 31-2848; Vascace; Yipingshu
- Ro-312848
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| Properties |
| Property |
Value |
| MW |
417.5 g/mol |
| HBD |
2 |
| HBA |
7 |
| Rotatable Bond Count |
9 |
| Exact Mass |
417.22637110 g/mol |
| Monoisotopic Mass |
417.22637110 g/mol |
| Heavy Atom Count |
30 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
3 |
| Covalent Unit Count |
1 |
| Complexity |
608 |
| xlogp |
0.6 |
| Topological Polar Surface Area |
99.2 |
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